Acta Chimica Sinica ›› 1993, Vol. 51 ›› Issue (6): 527-533. Previous Articles     Next Articles

Original Articles

Huckel-hubbard相关图

朱宏耀;江元生   

  1. 吉林大学理论化学研究所;南京大学化学系
  • 出版日期:1993-06-15 发布日期:1993-06-15

On huckel-hubbard correlation diagrams

ZHU HONGYAO;JIANG YUANSHENG   

  • Online:1993-06-15 Published:1993-06-15

In order to contrast the HMO theory (HMO) with a simple valence bond theory (Heisenberg-Dirac model), which are two opposite asymptotic limit cases of the Hubbard model, Hubbard problems have been solved for four sites systems with four electrons. The Hueckel-Hubbard correlation diagrams, where employs a parameter: U/t, have been obtained for these system. From correlation diagrams some interested results have been deduced in detail.e

Key words: CONJUGATION, ELECTRONIC STATES, BONDING, IRREDUABLE REPRESENTATION, CORRELOGRAM, MOLECULAR MODEL, HUCKEL MOLECULAR ORBITAL

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